Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(4-methoxybenzyl)amino]cyclopentanecarboxamide
Catalog ID
STL439077
SMILES COc1ccc(cc1)CN(C1(CCCC1)C(=O)Nc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)cc(n1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H32N4O5S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O5S/c1-19-14-20(2)31-28(30-19)39-17-26(34)33(16-21-6-9-23(36-3)10-7-21)29(12-4-5-13-29)27(35)32-22-8-11-24-25(15-22)38-18-37-24/h6-11,14-15H,4-5,12-13,16-18H2,1-3H3,(H,32,35)InChIKey
AIKGDHKZJMIIRM-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)OC)C3(CCCC3)C(=O)NC4=CC5=C(C=C4)OCO5)C
InChI=1SC29H32N4O5Sc1191420(2)3128(3019)391726(34)33(16216923(363)10721)29(12451329)27(35)32228112425(1522)38183724h6111415H4512131618H213H3(H3235)
MFCD07773368
N(13benzodioxol5yl)1((((46dimethylpyrimidin2yl)sulfanyl)acetyl)(4methoxybenzyl)amino)cyclopentanecarboxamide
N(13BENZODIOXOL5YL)1((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4METHOXYPHENYL)METHYL)AMINO)CYCLOPENTANE1CARBOXAMIDE
N(BENZO(D)(13)DIOXOL5YL)1(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4METHOXYBENZYL)ACETAMIDO)CYCLOPENTANECARBOXAMIDE
ZINC000001407578
ZINC1407578
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